9J07

Acetyl xylan esterase B from Aspergillus oryzae (AoAXEB), apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	57.614, 63.529, 83.417
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.450 - 1.750
R-factor	0.16601
Rwork	0.164
R-free	0.19893
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.669
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.450	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.117	0.859
Rpim	0.049	0.379
Number of reflections	31605	1710
<I/σ(I)>	12.1	2.1
Completeness [%]	100.0	100
Redundancy	6.6	6
CC(1/2)	0.998	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Potassium fluoride, 20% PEG3350